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用于结肠癌治疗的生物碱化合物与β-连环蛋白的分子对接分析

Molecular docking analysis of alkaloid compounds with beta-catenin towards the treatment of colon cancer.

作者信息

Ponnulakshmi Rajagopal, Vishnupriya Veeraraghavan, Mohan Surapaneni Krishna, Abilasha Srinivasan, Ramajayam Govindan, Vijayalakshmi Periyasamy, Rajalakshmi Manikkam, Selvaraj Jayaraman

机构信息

Central Research Laboratory, Meenakshi Academy of Higher Education and Research (Deemed to be University), Chennai-600 078, India.

Department of Biochemistry, Saveetha Dental College and Hospitals, Saveetha Institute of Medical and Technical Sciences, Saveetha University, Chennai - 600 077, India.

出版信息

Bioinformation. 2020 Mar 31;16(3):283-287. doi: 10.6026/97320630016283. eCollection 2020.

DOI:10.6026/97320630016283
PMID:32308271
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC7147492/
Abstract

It is known that beta-catenin is associated with fibromatosis, sarcoma and mesenchymal tumor. Therefore, it is of interest to design an effective inhibtitor to the target protein beta-catenin. In this study, we report the molecular docking analysis of alkaloid compounds (aristolochicacid, cryptopleurine, demecolcine, fagaronine and thalicarpine) with beta-catenin for further consideration towards the design and development of potential inhintors for the treatmnet of colon cancer.

摘要

已知β-连环蛋白与纤维瘤病、肉瘤和间充质肿瘤有关。因此,设计一种针对靶蛋白β-连环蛋白的有效抑制剂是很有意义的。在本研究中,我们报告了生物碱化合物(马兜铃酸、隐品碱、秋水仙碱、法卡林二醇和唐松草品碱)与β-连环蛋白的分子对接分析,以便进一步考虑设计和开发用于治疗结肠癌的潜在抑制剂。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a2df/7147492/b16b321fb995/97320630016283F2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a2df/7147492/6e642c69ccec/97320630016283F1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a2df/7147492/b16b321fb995/97320630016283F2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a2df/7147492/6e642c69ccec/97320630016283F1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a2df/7147492/b16b321fb995/97320630016283F2.jpg

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本文引用的文献

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Wnt signaling in multiple myeloma: a central player in disease with therapeutic potential.Wnt 信号在多发性骨髓瘤中的作用:疾病中的核心分子及其治疗潜力
J Hematol Oncol. 2018 May 18;11(1):67. doi: 10.1186/s13045-018-0615-3.
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p120-catenin in canonical Wnt signaling.经典Wnt信号通路中的p120连环蛋白
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A comparative study on the molecular descriptors for predicting drug-likeness of small molecules.用于预测小分子类药性的分子描述符的比较研究。
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Wnt signaling pathway is epigenetically regulated by methylation of Wnt antagonists in acute myeloid leukemia.在急性髓系白血病中,Wnt信号通路通过Wnt拮抗剂的甲基化受到表观遗传调控。
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